SCHEMBL4429324

SCHEMBL4429324

Nc1cc2cc3oc(N4CCCC4)cc3cc2o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 5/20 0.34
XRCC6 P12956 1/20 0.34
XRCC5 P13010 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
POLB P06746 1/20 0.33
HRH4 Q9H3N8 2/20 0.32
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
NPC1 O15118 2/20 0.31
ALDH1A1 P00352 2/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
DRD2 P14416 1/20 0.31
MAOA P21397 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5036373 0.83 POLB (0.35) PRKDCSMN1; SMN2POLBHRH4NPC1
SCHEMBL4420736 0.78 EHMT2 (0.35) PRKDCXRCC6XRCC5HRH4
SCHEMBL4419315 0.78 RAB9A (0.34) PRKDCXRCC6XRCC5SMN1; SMN2NPC1
SCHEMBL4428268 0.77 PRKDC (0.46) PRKDCSMN1; SMN2POLBALDH1A1KMT2A
SCHEMBL12278498 0.76 PRKDC (0.44) PRKDCXRCC6XRCC5SMN1; SMN2POLB
SCHEMBL12277895 0.72 PRKDC (0.44) PRKDCXRCC6XRCC5SMN1; SMN2POLB
SCHEMBL27581467 0.70 PRKDC (0.50) PRKDCXRCC6XRCC5SMN1; SMN2POLB
SCHEMBL3512413 0.69 ALDH1A1 (0.51) PRKDCXRCC6XRCC5SMN1; SMN2POLB
SCHEMBL5040130 0.67 NUDT1 (0.35) PRKDCSMN1; SMN2POLBHRH4CRHBP
SCHEMBL5041419 0.67 PRKDC (0.33) PRKDCSMN1; SMN2POLBHRH4ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US claimed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 US claimed
EP-1720615-B1 COSMETIC HAIR DYEING COMPOSITIONS CONTAINING THEM AND USE THEREOF PROCTER & GAMBLE (US) 2009-12-30 EP disclosed
US-7468080-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-12-23 US disclosed
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof WELLA OPERATIONS US, LLC 2008-06-12 US disclosed
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US disclosed
EP-1720615-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-15 EP disclosed
WO-2005087187-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-09-22 WO disclosed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 PRKDC 354/4885XRCC6 127/4885XRCC5 22/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 PRKDC 354/4885XRCC6 127/4885XRCC5 22/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.